Published January 6, 2026 | Version 2026.1.6
Software Open

molssi-seamm/read_structure_step: Bugfix: Fixed error reading multiple structures from .extxyz file

Authors/Creators

  • 1. @MolSSI
  • 2. University of Notre Dame

Description

  • Fixes a crash on reading multiple structures from a .extxyz file when using the system name from the file ("keep current name" or "title") with a given configuration name, like "initial".

Files

molssi-seamm/read_structure_step-2026.1.6.zip

Files (1.0 MB)

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md5:886549b668eea7c4fa9fd7f76c74286e
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Additional details

Related works

Is supplement to
Software: https://github.com/molssi-seamm/read_structure_step/tree/2026.1.6 (URL)

Software

Repository URL
https://github.com/molssi-seamm/read_structure_step